5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide

C9H12ClN3O2S — CID 107257652

IUPAC5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
SMILESCCS(=O)CCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O2S/c1-2-16(15)4-3-11-9(14)7-5-13-8(10)6-12-7/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyZVNFDMBYKMPISK-UHFFFAOYSA-N
MW261.73 g/mol
LogP0.63
Rot. Bonds5

About 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide

5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide (PubChem CID 107257652) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
PubChem CID107257652
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
SMILESCCS(=O)CCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C9H12ClN3O2S/c1-2-16(15)4-3-11-9(14)7-5-13-8(10)6-12-7/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyZVNFDMBYKMPISK-UHFFFAOYSA-N
XLogP0.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 106551326
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 107371808
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide (CID 107257652) is 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide is CCS(=O)CCNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
The InChIKey is ZVNFDMBYKMPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-2-16(15)4-3-11-9(14)7-5-13-8(10)6-12-7/h5-6H,2-4H2,1H3,(H,11,14).
What are the key properties of 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide?
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107257652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).